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通过[具体方法]合成银纳米颗粒以及对参与生产过程的硝酸还原酶进行计算分析。 (注:原文中“by ”后面缺少具体内容)

Synthesis of silver nanoparticles by and computational profiling of nitrate reductase enzyme involved in production.

作者信息

Mukherjee Koel, Gupta Rashmi, Kumar Gourav, Kumari Sarita, Biswas Saptaswa, Padmanabhan Padmini

机构信息

Bioinformatics Laboratory, Bio-Engineering Department, Birla Institute of Technology, Mesra, Ranchi, Jharkhand 835215, India.

Bioprocess Engineering Laboratory, Bio-Engineering Department, Birla Institute of Technology, Mesra, Ranchi, Jharkhand 835215, India.

出版信息

J Genet Eng Biotechnol. 2018 Dec;16(2):527-536. doi: 10.1016/j.jgeb.2018.04.004. Epub 2018 Jun 28.

Abstract

Biogenic synthesis of silver nanoparticles using microorganisms has found interest recently since last decade because of their prospect to synthesize nanoparticles of various size, shape and morphology which are eco-friendly. Here, an eco-friendly method for production of silver nanoparticles from cultured from is explored. Along with the biosynthesis and conformity test, studies was done on NADPH dependent nitrate reductase enzymes from the view point of designing a rational enzymatic strategy for the synthesis. The detailed characterization of the nanoparticles was carried out using UV-Vis spectroscopy, Dynamic Light Scattering (DLS) particle size analysis, Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD) analysis. Computational profiling and characterization of NADH dependent enzymes was carried out based on literature and work done so far. Nitrate reductase sequence was retrieved from NCBI for characterization. Secondary structure was evaluated and verified by JPred as well as SOPMA Tool. Tertiary structure was also modeled by MODELLER and ITASSER parallel and the best structure was selected based on energy values. Structure validation was done by GROMACS and RMSD, RMSF, temperature variation plot were also plotted. Interactions graphs between nitrate reductase and ligand silver nitrate was done through molecular docking using Hex.

摘要

近十年来,利用微生物进行银纳米颗粒的生物合成因其有望合成各种尺寸、形状和形态且环保的纳米颗粒而受到关注。在此,探索了一种从[培养物名称未给出]中生产银纳米颗粒的环保方法。除了生物合成和一致性测试外,还从设计合理的酶促合成策略的角度对依赖NADPH的硝酸还原酶进行了研究。使用紫外可见光谱、动态光散射(DLS)粒度分析、透射电子显微镜(TEM)、X射线衍射(XRD)分析对纳米颗粒进行了详细表征。基于文献和目前已完成的工作,对依赖NADH的酶进行了计算分析和表征。从NCBI检索硝酸还原酶序列进行表征。通过JPred以及SOPMA工具评估和验证二级结构。还通过MODELLER和ITASSER并行建模三级结构,并根据能量值选择最佳结构。通过GROMACS进行结构验证,并绘制RMSD、RMSF、温度变化图。通过使用Hex进行分子对接,绘制硝酸还原酶与配体硝酸银之间的相互作用图。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5866/6353735/f50f38f362cf/gr1.jpg

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